%chk=000003914.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003914

0 1
 O  -0.3474000       1.666000     -0.6678000    
 O   -2.764500       2.376400      -1.899000    
 O    4.724800      -1.330200      0.4538000    
 N   -3.004600     -0.1840000      0.7644000    
 C   -3.245200      -1.619700      0.7132000    
 C    1.169800     -0.5702000      -1.576800    
 C    1.593600      0.2651000     -0.3992000    
 C   -2.966000      0.3856000     -0.5758000    
 C    1.727400      -1.983900      -1.475100    
 C   -2.724900       1.896800     -0.5519000    
 C    3.238200      -1.953400      -1.313900    
 C    2.786700      5.2999998E-03  0.2930000    
 C   -3.286000      -2.159400       2.146900    
 C   -4.589900      -1.864900      2.0600000E-02
 C   -2.116300      -2.297000     -7.2700001E-02
 C   0.8055000       1.356300     -6.8999999E-03
 C   -1.383200       2.284500      6.6100001E-02
 C    3.662000      -1.120700     -0.1240000    
 C    3.168000      0.8091000       1.374000    
 C    1.187100       2.156900       1.070100    
 C    2.364900       1.881600       1.760800    
 H   7.9099998E-02 -0.6381000      -1.636300    
 H    1.524200     -8.8600002E-02  -2.496200    
 H   -2.198400     -6.1799999E-02  -1.213100    
 H   -3.917000      0.2543000      -1.102900    
 H    1.277800      -2.498100     -0.6156000    
 H    1.458700      -2.555600      -2.370400    
 H   -2.122600     -4.8000002E-03   1.242500    
 H   -3.534000       2.397900     -8.6000003E-03
 H    3.719800      -1.542100      -2.207900    
 H    3.602100      -2.976100      -1.165500    
 H   -4.078400      -1.678200       2.732100    
 H   -3.476900      -3.238600       2.158500    
 H   -2.335900      -1.987500       2.666500    
 H   -4.558600      -1.718900      -1.064200    
 H   -5.383600      -1.232200      0.4360000    
 H   -4.906100      -2.905100      0.1700000    
 H   -1.129500      -1.984700      0.2882000    
 H   -2.168500      -3.385500      5.6299999E-02
 H   -2.164500      -2.124200      -1.152600    
 H   -1.383600       2.004200       1.126000    
 H   -1.254800       3.370900     -1.3500000E-02
 H    4.087000      0.6203000       1.922200    
 H   0.6175000       3.026400       1.384100    
 H    2.665600       2.510400       2.593900    
 H   -2.018500       1.976300      -2.378000    


%chk=000003914-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003914

0 1
O -0.074656 0.721551 -0.454674
O -2.245503 1.293086 -2.135730
O 5.962837 0.298693 0.018485
N -3.016312 -1.208602 0.616509
C -4.413800 -1.660126 0.909044
C 2.141719 -0.435070 -1.706498
C 2.298385 0.414544 -0.454943
C -2.669361 -0.717990 -0.733934
C 3.327884 -1.404075 -1.897496
C -2.455874 0.820493 -0.758457
C 4.668970 -0.643158 -1.821128
C 3.574590 0.656707 0.128374
C -4.449397 -2.032866 2.411482
C -5.400776 -0.496867 0.643199
C -4.822634 -2.902207 0.058926
C 1.155851 0.989779 0.171817
C -1.310166 1.271122 0.151988
C 4.823643 0.114832 -0.503823
C 3.700064 1.440179 1.308762
C 1.276748 1.765646 1.347484
C 2.556632 1.987289 1.911281
H 1.185036 -0.985201 -1.660519
H 2.065540 0.231787 -2.592185
H -1.736168 -1.198741 -1.087790
H -3.450769 -0.949718 -1.484151
H 3.300835 -2.182240 -1.109931
H 3.240751 -1.921201 -2.870921
H -2.332068 -1.882440 0.979264
H -3.380614 1.319238 -0.420975
H 4.714304 0.104132 -2.642571
H 5.541535 -1.307974 -1.942759
H -4.181233 -1.158503 3.030175
H -5.456374 -2.380541 2.704012
H -3.733742 -2.848054 2.635998
H -5.404190 -0.198878 -0.421296
H -5.128752 0.383710 1.252154
H -6.429552 -0.802162 0.906850
H -4.158223 -3.759254 0.279107
H -5.862195 -3.210177 0.277049
H -4.756875 -2.686269 -1.023549
H -1.456324 0.860581 1.169225
H -1.242348 2.375747 0.178502
H 4.702520 1.599835 1.717020
H 0.393080 2.195057 1.827471
H 2.645368 2.592277 2.819825
H -1.307487 1.076831 -2.379371


